1-(4-Fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate

Base Information

• Chemical Name: 1-(4-Fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate
• CAS No.: 5983-04-0
• Molecular Formula: C26H19FN4O3
• Molecular Weight: 454.5
• DSSTox Substance ID: DTXSID00409837

Synonyms:5983-04-0;1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate;DTXSID00409837

Chemical Property of 1-(4-Fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 454.14411864
• Heavy Atom Count: 34
• Complexity: 821

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• Canonical SMILES: CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)F)C4=C(N(N=C4C5=CC=CC=C5)C)[O-]

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